hello dear all
I ran a MD simulation twice for two different length of time. At the first one, the time length of simulation was 0.5(ns) and at the second one, the time length was 1(ns)(the timestep was 0.001(ps))
Both simulation run correctly without any error and bug.
but, the dump file of 1(ns) simulation is exactly similar to the 0.5(ns) when opened them in VMD(range of atoms motion, the number of frames in VMD main window…)
while all output parameters(like, atom positions, lennard-jones potentioal, atoms temperature…) were changing after 0.5(ns) until 1(ns) in log file, but these changes did not come to its dump file.
thanks in advance
Nobody can give meaningful advice on such a vague description without the ability to reproduce your observations.
Please create two minimal input files based on the “peptide” example that reproduce what you have done and seen and post them here.